2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine

C12H10ClFN2O — CID 24901936

IUPAC2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine
SMILESCCOc1ccc(F)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C12H10ClFN2O/c1-2-17-11-4-3-8(14)7-9(11)10-5-6-15-12(13)16-10/h3-7H,2H2,1H3
InChIKeyZEKSPDXVVNEJQK-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine

2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine (PubChem CID 24901936) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine
PubChem CID24901936
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine
SMILESCCOc1ccc(F)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C12H10ClFN2O/c1-2-17-11-4-3-8(14)7-9(11)10-5-6-15-12(13)16-10/h3-7H,2H2,1H3
InChIKeyZEKSPDXVVNEJQK-UHFFFAOYSA-N
XLogP3.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine
CID 89351224
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
2-(2-chloroethyl)-4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 116899336
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
4-chloro-2-(2-ethoxyphenyl)pyridine
CID 102825098
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine
CID 88919519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine (CID 24901936) is 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine is CCOc1ccc(F)cc1-c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine?
The InChIKey is ZEKSPDXVVNEJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-2-17-11-4-3-8(14)7-9(11)10-5-6-15-12(13)16-10/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine?
2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine has a molecular weight of 252.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine is sourced from PubChem (CID 24901936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).